| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
G |
51 |
15 |
3720 |
◊ |
F |
x,y,z |
1_555 |
48 |
15 |
3748 |
482.8 |
-1.9 |
0.534 |
12 |
0 |
0 |
0.000 |
2 |
|
C |
47 |
14 |
3638 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
3680 |
427.5 |
-1.2 |
0.585 |
11 |
0 |
0 |
0.000 |
3 |
|
H |
44 |
13 |
3626 |
◊ |
D |
x,y,z |
1_555 |
47 |
15 |
3636 |
386.7 |
0.1 |
0.713 |
10 |
0 |
0 |
0.000 |
4 |
|
E |
42 |
12 |
3643 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
11 |
3639 |
360.8 |
1.2 |
0.763 |
9 |
0 |
0 |
0.000 |
| Average: |
414.5 |
-0.4 |
0.649 |
11 |
0 |
0 |
0.000 |
| 2 |
5 |
|
F |
33 |
7 |
3748 |
◊ |
E |
x,y,z |
1_555 |
38 |
10 |
3643 |
287.7 |
-1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
| 3 |
6 |
|
H |
27 |
7 |
3626 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
34 |
11 |
3720 |
272.2 |
-1.4 |
0.521 |
2 |
0 |
0 |
0.000 |
7 |
|
D |
23 |
6 |
3636 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
28 |
10 |
3748 |
252.8 |
-2.8 |
0.321 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
27 |
9 |
3638 |
◊ |
E |
x,y,z-1 |
1_554 |
29 |
11 |
3643 |
246.5 |
-2.3 |
0.377 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
27 |
10 |
3638 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
8 |
3639 |
240.9 |
-2.7 |
0.319 |
3 |
0 |
0 |
0.000 |
10 |
|
E |
25 |
8 |
3643 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
3680 |
239.5 |
-2.3 |
0.383 |
3 |
0 |
0 |
0.000 |
11 |
|
B |
24 |
7 |
3680 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
3639 |
238.8 |
-2.9 |
0.289 |
2 |
0 |
0 |
0.000 |
12 |
|
H |
27 |
11 |
3626 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
23 |
6 |
3748 |
229.5 |
-2.3 |
0.340 |
3 |
0 |
0 |
0.000 |
| Average: |
245.7 |
-2.4 |
0.364 |
2 |
0 |
0 |
0.000 |
| 4 |
13 |
|
H |
27 |
11 |
3626 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
12 |
3639 |
244.9 |
-1.3 |
0.504 |
1 |
1 |
0 |
0.000 |
| 5 |
14 |
|
E |
24 |
10 |
3643 |
◊ |
D |
x,y,z |
1_555 |
22 |
9 |
3636 |
244.0 |
-1.3 |
0.474 |
4 |
2 |
0 |
0.000 |
15 |
|
B |
25 |
10 |
3680 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
29 |
12 |
3720 |
237.2 |
-1.2 |
0.455 |
1 |
0 |
0 |
0.000 |
16 |
|
C |
24 |
10 |
3638 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
25 |
11 |
3748 |
233.6 |
-1.2 |
0.430 |
1 |
0 |
0 |
0.000 |
| Average: |
238.2 |
-1.2 |
0.453 |
2 |
1 |
0 |
0.000 |
| 6 |
17 |
|
D |
27 |
10 |
3636 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
6 |
3720 |
230.7 |
-2.7 |
0.348 |
3 |
0 |
0 |
0.000 |
| 7 |
18 |
|
H |
26 |
5 |
3626 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
23 |
7 |
3639 |
223.9 |
1.0 |
0.739 |
2 |
0 |
0 |
0.000 |
| 8 |
19 |
|
D |
26 |
9 |
3636 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
23 |
7 |
3638 |
207.6 |
1.7 |
0.825 |
2 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[GOL]H:101 |
6 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
3626 |
96.7 |
-0.0 |
0.594 |
1 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[GOL]H:101 |
5 |
1 |
218 |
f |
F |
-x,y-1/2,-z |
2_545 |
12 |
4 |
3748 |
77.0 |
-0.4 |
0.517 |
1 |
0 |
0 |
1.000 |
| 11 |
22 |
|
C |
5 |
2 |
3638 |
◊ |
G |
x,y,z-1 |
1_554 |
9 |
2 |
3720 |
62.8 |
1.0 |
0.810 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[NH2]E:57 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
7 |
5 |
3643 |
57.6 |
0.6 |
0.635 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]F:57 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
8 |
5 |
3748 |
57.5 |
0.8 |
0.722 |
0 |
0 |
0 |
0.000 |
25 |
|
[NH2]A:57 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
8 |
5 |
3639 |
56.6 |
0.6 |
0.671 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]B:57 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
8 |
6 |
3680 |
56.5 |
0.6 |
0.677 |
0 |
0 |
0 |
0.000 |
27 |
|
[NH2]D:57 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
8 |
6 |
3636 |
56.4 |
0.7 |
0.710 |
0 |
0 |
0 |
0.000 |
28 |
|
[NH2]G:57 |
1 |
1 |
117 |
cf |
G |
x,y,z |
1_555 |
8 |
5 |
3720 |
55.6 |
0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
29 |
|
[NH2]H:57 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
9 |
5 |
3626 |
54.6 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
30 |
|
[NH2]C:57 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
5 |
3638 |
54.3 |
0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
56.1 |
0.6 |
0.670 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
D |
5 |
2 |
3636 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
3680 |
54.5 |
0.5 |
0.698 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
G |
7 |
2 |
3720 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
3643 |
49.9 |
0.5 |
0.740 |
1 |
0 |
0 |
0.000 |
| 15 |
33 |
|
H |
3 |
1 |
3626 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
6 |
2 |
3720 |
46.0 |
0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
34 |
|
E |
4 |
1 |
3643 |
◊ |
C |
x-1,y,z+1 |
1_456 |
3 |
1 |
3638 |
20.9 |
0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
5 |
1 |
3638 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3639 |
20.0 |
0.2 |
0.673 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
5 |
1 |
3636 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
3720 |
16.4 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
4 |
1 |
3680 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
3643 |
11.9 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
| 16 |
38 |
|
C |
6 |
2 |
3638 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
3720 |
40.2 |
0.9 |
0.820 |
0 |
0 |
0 |
0.000 |
39 |
|
H |
3 |
1 |
3626 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3643 |
4.2 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
1 |
1 |
3636 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
3639 |
4.2 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
16.2 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
| 17 |
41 |
|
G |
7 |
2 |
3720 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3680 |
31.3 |
0.6 |
0.667 |
0 |
0 |
0 |
0.000 |
| 18 |
42 |
|
C |
3 |
1 |
3638 |
◊ |
F |
x,y,z-1 |
1_554 |
4 |
2 |
3748 |
21.5 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
| 19 |
43 |
|
G |
1 |
1 |
3720 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3639 |
7.7 |
0.4 |
0.842 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
D |
1 |
1 |
3636 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
3748 |
2.9 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
45 |
|
H |
1 |
1 |
3626 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
3748 |
1.2 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
H |
1 |
1 |
3626 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
3643 |
1.2 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
|